#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1b n PRO 2 N 0.00 -2.75 -3.58 1.64 -0.04 -1.26 -5.08 135.00 123.93 1y1b n PRO 2 Ca 0.00 -0.47 -0.07 0.00 -0.04 0.00 0.00 63.50 62.92 1y1b n PRO 2 Cb 0.00 -0.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.79 1y1b n PRO 2 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1y1b s ASP 3 N -2.31 -0.24 0.22 3.54 2.15 -1.26 -5.02 116.67 113.75 1y1b s ASP 3 Ca 0.22 0.13 -0.09 0.00 0.43 0.00 0.00 52.55 53.24 1y1b s ASP 3 Cb -0.04 0.23 -0.07 0.00 -0.30 0.00 0.00 42.92 42.74 1y1b s ASP 3 CO 0.18 -0.32 -0.03 0.00 -0.17 0.00 0.00 175.17 174.83 1y1b s PRO 5 N -0.46 1.78 -0.77 0.00 0.04 -1.26 -4.90 135.00 129.43 1y1b s PRO 5 Ca 0.27 -1.18 -0.01 0.00 0.04 0.00 0.00 61.00 60.12 1y1b s PRO 5 Cb -0.25 -2.38 0.37 0.00 0.04 0.00 0.00 34.50 32.28 1y1b s PRO 5 CO 0.30 -1.35 1.90 1.47 0.04 0.00 0.00 177.00 179.36 1y1b n LEU 6 N -2.74 7.15 -2.16 -3.56 -0.00 -1.26 -4.91 117.00 109.51 1y1b n LEU 6 Ca 0.15 -4.84 -0.03 0.00 -0.00 0.00 0.00 56.01 51.29 1y1b n LEU 6 Cb 0.61 -0.97 -0.03 0.00 -0.00 0.00 0.00 43.42 43.03 1y1b n LEU 6 CO 0.42 1.80 -0.39 -0.38 -0.00 0.00 0.00 177.39 178.84 1y1b n ILE 7 N -0.57 -8.84 0.00 1.47 5.41 -1.26 -5.06 119.36 110.51 1y1b n ILE 7 Ca 0.53 1.60 0.00 0.00 1.00 0.00 0.00 62.75 65.88 1y1b n ILE 7 Cb 0.34 -5.40 0.00 0.00 -0.71 0.00 0.00 39.64 33.87 1y1b n ILE 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y1b s THR 9 N 0.00 0.00 -0.37 0.00 -1.32 -1.26 -5.02 115.64 107.67 1y1b s THR 9 Ca 0.00 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.52 1y1b s THR 9 Cb 0.00 -1.00 0.57 0.00 -1.51 0.00 0.00 72.50 70.56 1y1b s THR 9 CO 0.00 0.00 1.74 0.23 -2.21 0.00 0.00 174.62 174.38 1y1b n MET 10 N 2.21 2.26 0.00 7.08 2.81 -1.26 -4.74 117.12 125.48 1y1b n MET 10 Ca -0.13 -2.52 0.00 0.00 -1.81 0.00 0.00 57.70 53.25 1y1b n MET 10 Cb 0.56 -2.00 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 1y1b n MET 10 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1y1b n GLN 11 N -0.74 0.00 -3.15 0.03 3.00 -1.26 -5.06 117.38 110.20 1y1b n GLN 11 Ca 0.47 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.51 1y1b n GLN 11 Cb 1.44 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 31.68 1y1b n GLN 11 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 1y1b s TYR 12 N 0.00 -1.19 -0.32 1.08 6.14 -1.26 -5.02 117.35 116.77 1y1b s TYR 12 Ca 0.00 0.75 0.18 0.00 0.64 0.00 0.00 57.07 58.63 1y1b s TYR 12 Cb 0.00 0.22 0.46 0.00 0.42 0.00 0.00 41.96 43.06 1y1b s TYR 12 CO 0.00 -0.69 0.95 -3.47 0.64 0.00 0.00 175.55 172.98 1y1b n ASP 13 N 5.29 1.55 -4.53 4.32 2.03 0.66 -5.04 116.55 120.82 1y1b n ASP 13 Ca 0.06 -2.75 -0.54 0.00 0.52 0.00 0.00 54.79 52.08 1y1b n ASP 13 Cb 0.55 -0.53 -0.08 0.00 -0.72 0.00 0.00 41.12 40.35 1y1b n ASP 13 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1y1b n PRO 14 N -0.07 1.01 -4.75 -0.67 -0.04 0.16 -3.57 135.00 127.06 1y1b n PRO 14 Ca 0.10 0.32 -0.25 0.00 -0.04 0.00 0.00 63.50 63.63 1y1b n PRO 14 Cb 0.81 -2.21 -0.16 0.00 -0.04 0.00 0.00 33.50 31.90 1y1b n PRO 14 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1y1b s VAL 15 N 5.60 1.32 -0.17 0.52 -7.23 0.17 -1.27 120.40 119.34 1y1b s VAL 15 Ca 1.06 -0.65 -0.29 0.00 -1.81 0.00 0.00 61.98 60.29 1y1b s VAL 15 Cb -1.02 -1.15 -0.00 0.00 0.56 0.00 0.00 36.38 34.77 1y1b s VAL 15 CO 0.58 0.39 1.10 0.00 -0.31 0.00 0.00 175.10 176.85 1y1b s GLY 17 N 1.37 1.97 -0.76 0.00 0.00 0.89 -1.31 107.32 109.48 1y1b s GLY 17 Ca 0.48 -0.73 -0.25 0.00 0.00 0.00 0.00 44.72 44.23 1y1b s GLY 17 CO 0.12 -0.18 2.46 -1.26 0.00 0.00 0.00 173.10 174.24 1y1b n SER 18 N 2.85 1.13 0.00 1.64 2.88 0.38 -2.19 113.62 120.31 1y1b n SER 18 Ca -0.18 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 56.84 1y1b n SER 18 Cb 0.53 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 1y1b n SER 18 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1y1b n ASP 19 N 13.59 0.00 0.00 -3.46 2.03 -1.26 -3.03 116.55 124.42 1y1b n ASP 19 Ca 0.51 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.82 1y1b n ASP 19 Cb 0.33 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 1y1b n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1y1b n GLY 20 N 0.00 1.83 2.97 0.27 0.00 -0.93 -5.14 105.19 104.19 1y1b n GLY 20 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1y1b n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1b s ILE 21 N -2.00 0.22 -0.51 -0.61 -1.09 -1.20 -5.03 121.20 110.98 1y1b s ILE 21 Ca 0.00 -0.68 -0.08 0.00 -2.23 0.00 0.00 60.65 57.65 1y1b s ILE 21 Cb 0.00 -0.30 0.13 0.00 -1.58 0.00 0.00 42.46 40.71 1y1b s ILE 21 CO 0.00 -0.30 0.38 -0.89 -1.23 0.00 0.00 174.94 172.90 1y1b s THR 22 N -0.99 4.19 0.19 2.92 2.01 -1.26 -0.08 115.64 122.62 1y1b s THR 22 Ca -0.09 -1.99 -0.27 0.00 0.31 0.00 0.00 61.69 59.64 1y1b s THR 22 Cb -0.07 -3.75 -0.08 0.00 0.01 0.00 0.00 72.50 68.61 1y1b s THR 22 CO -0.00 -0.80 0.85 -0.31 -0.69 0.00 0.00 174.62 173.66 1y1b s TYR 23 N 1.09 3.94 0.52 4.92 2.02 0.04 -4.80 117.35 125.08 1y1b s TYR 23 Ca 0.08 1.75 0.34 0.00 -0.37 0.00 0.00 57.07 58.87 1y1b s TYR 23 Cb -0.24 -2.86 1.48 0.00 -0.40 0.00 0.00 41.96 39.94 1y1b s TYR 23 CO -0.02 0.48 1.78 0.78 -1.57 0.00 0.00 175.55 177.01 1y1b h GLY 24 N 4.31 0.25 -4.51 0.71 0.00 -1.86 0.48 103.07 102.45 1y1b h GLY 24 Ca -0.46 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 1y1b h GLY 24 CO 0.67 -0.04 0.16 -1.31 0.00 0.00 0.00 176.54 176.03 1y1b s ASN 25 N -5.11 -0.70 0.53 0.19 0.01 -1.23 0.36 114.94 108.99 1y1b s ASN 25 Ca -0.06 1.08 0.25 0.00 -0.71 0.00 0.00 52.86 53.43 1y1b s ASN 25 Cb 0.24 1.01 1.39 0.00 0.41 0.00 0.00 41.25 44.29 1y1b s ASN 25 CO 0.81 -0.43 1.99 0.00 -1.51 0.00 0.00 177.10 177.96 1y1b h ALA 26 N 4.01 2.50 -0.19 0.60 0.00 -1.80 0.45 119.26 124.83 1y1b h ALA 26 Ca -0.28 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 1y1b h ALA 26 Cb 1.15 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1y1b h ALA 26 CO 0.22 -0.66 -0.67 0.00 0.00 0.00 0.00 179.25 178.14 1y1b h MET 28 N 0.53 0.00 0.04 0.00 2.86 -0.48 -1.54 114.93 116.34 1y1b h MET 28 Ca -0.02 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1y1b h MET 28 Cb 1.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1y1b h MET 28 CO 0.14 0.00 -0.02 -0.07 1.06 0.00 0.00 176.91 178.02 1y1b h LEU 29 N 0.00 -0.04 -1.73 1.22 3.38 -0.75 -1.85 115.31 115.53 1y1b h LEU 29 Ca 0.00 -0.64 0.33 0.00 0.09 0.00 0.00 57.88 57.66 1y1b h LEU 29 Cb 0.06 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 1y1b h LEU 29 CO 0.00 0.66 0.80 -0.07 0.09 0.00 0.00 178.44 179.93 1y1b h LEU 30 N -0.80 0.17 -0.35 1.67 3.38 -1.15 2.64 115.31 120.88 1y1b h LEU 30 Ca -0.01 0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 1y1b h LEU 30 Cb 0.68 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1y1b h LEU 30 CO 0.01 0.01 -0.83 1.23 0.09 0.00 0.00 178.44 178.95 1y1b h GLY 31 N 0.14 0.18 0.50 0.83 0.00 -1.42 -1.47 103.07 101.84 1y1b h GLY 31 Ca 0.61 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 1y1b h GLY 31 CO -0.14 0.27 -0.14 0.00 0.00 0.00 0.00 176.54 176.53 1y1b h ALA 32 N 1.04 -0.38 -0.02 3.60 0.00 0.51 0.36 119.26 124.37 1y1b h ALA 32 Ca -0.03 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1y1b h ALA 32 Cb 1.44 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1y1b h ALA 32 CO 0.12 -0.46 0.02 0.77 0.00 0.00 0.00 179.25 179.70 1y1b h SER 33 N -0.89 0.00 1.42 0.00 0.02 0.01 0.47 113.55 114.58 1y1b h SER 33 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1y1b h SER 33 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1y1b h SER 33 CO 0.06 0.00 -0.18 0.00 -1.14 0.00 0.00 176.83 175.58 1y1b n ARG 35 N -2.40 0.67 0.00 0.00 3.00 0.14 -4.90 116.66 113.17 1y1b n ARG 35 Ca 0.05 0.22 0.00 0.00 -0.01 0.00 0.00 57.85 58.10 1y1b n ARG 35 Cb 0.46 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 31.21 1y1b n ARG 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1y1b n SER 36 N -3.08 0.00 -0.65 0.55 2.88 0.21 -5.08 113.62 108.45 1y1b n SER 36 Ca -0.25 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.28 1y1b n SER 36 Cb 1.07 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.52 1y1b n SER 36 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1y1b n ASP 37 N 0.00 -0.19 -3.60 -3.46 5.75 -1.25 -5.04 116.55 108.76 1y1b n ASP 37 Ca 0.00 -0.41 -0.20 0.00 -0.01 0.00 0.00 54.79 54.17 1y1b n ASP 37 Cb 0.00 0.06 -0.15 0.00 -1.03 0.00 0.00 41.12 40.00 1y1b n ASP 37 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1y1b s THR 38 N 0.00 -0.23 -1.06 2.12 2.01 -1.26 -5.07 115.64 112.16 1y1b s THR 38 Ca 0.00 0.10 -0.24 0.00 0.31 0.00 0.00 61.69 61.86 1y1b s THR 38 Cb 0.00 -0.46 -0.16 0.00 0.01 0.00 0.00 72.50 71.90 1y1b s THR 38 CO -0.00 -0.06 1.97 -0.81 -0.69 0.00 0.00 174.62 175.03 1y1b n PRO 39 N 5.31 1.05 -0.50 4.92 -0.04 -1.26 -4.62 135.00 139.86 1y1b n PRO 39 Ca -0.05 -2.11 -0.29 0.00 -0.04 0.00 0.00 63.50 61.01 1y1b n PRO 39 Cb 0.50 -3.66 0.25 0.00 -0.04 0.00 0.00 33.50 30.54 1y1b n PRO 39 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1y1b n ILE 40 N 8.00 0.00 -4.46 0.52 -0.00 -1.26 -5.00 119.36 117.17 1y1b n ILE 40 Ca 0.44 -0.42 -0.21 0.00 -0.00 0.00 0.00 62.75 62.56 1y1b n ILE 40 Cb 0.46 -0.97 -0.05 0.00 -0.00 0.00 0.00 39.64 39.08 1y1b n ILE 40 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1y1b n GLU 41 N -4.72 0.82 -5.27 6.28 1.02 -1.17 -4.93 120.64 112.67 1y1b n GLU 41 Ca 0.03 -2.70 -0.31 0.00 -0.02 0.00 0.00 57.16 54.16 1y1b n GLU 41 Cb 0.54 1.17 -0.16 0.00 -0.02 0.00 0.00 31.44 32.98 1y1b n GLU 41 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1y1b s LEU 42 N 0.00 2.08 0.01 -4.62 1.98 -1.26 0.14 118.68 117.02 1y1b s LEU 42 Ca 0.10 -0.48 -0.00 0.00 -2.89 0.00 0.00 54.13 50.85 1y1b s LEU 42 Cb 0.00 -1.37 -0.00 0.00 0.66 0.00 0.00 46.19 45.49 1y1b s LEU 42 CO 0.07 0.28 -0.01 1.33 -1.89 0.00 0.00 176.35 176.13 1y1b n VAL 43 N 2.72 0.29 -4.10 1.68 0.24 -0.43 -4.66 118.33 114.07 1y1b n VAL 43 Ca -0.17 0.07 -0.13 0.00 -2.04 0.00 0.00 64.34 62.07 1y1b n VAL 43 Cb 0.52 -1.53 -0.11 0.00 -1.47 0.00 0.00 33.84 31.24 1y1b n VAL 43 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1y1b s HIS 44 N -2.02 0.78 -1.17 6.34 3.76 -1.12 -5.02 115.29 116.84 1y1b s HIS 44 Ca -0.01 -0.56 -0.04 0.00 -0.15 0.00 0.00 55.06 54.30 1y1b s HIS 44 Cb 0.00 -0.46 0.23 0.00 1.11 0.00 0.00 32.58 33.46 1y1b s HIS 44 CO 0.01 -0.07 2.03 1.63 -0.85 0.00 0.00 174.74 177.49 1y1b n LYS 45 N 1.19 4.88 -1.12 1.40 4.76 -1.26 0.67 118.16 128.68 1y1b n LYS 45 Ca -0.21 -4.08 0.00 0.00 -2.87 0.00 0.00 58.31 51.15 1y1b n LYS 45 Cb 0.56 -2.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.17 1y1b n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1y1b n GLY 46 N 1.01 -0.69 2.29 0.72 0.00 -0.40 -4.74 105.19 103.38 1y1b n GLY 46 Ca 0.51 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1y1b n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y1b n ARG 47 N 0.00 3.25 -0.03 1.61 1.74 -1.26 -2.70 116.66 119.27 1y1b n ARG 47 Ca 0.00 -2.16 0.00 0.00 -0.77 0.00 0.00 57.85 54.92 1y1b n ARG 47 Cb 0.00 -2.46 0.00 0.00 -1.02 0.00 0.00 32.46 28.98 1y1b n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11